4-oxo-2,3-dihydrochromene-6-sulfonamide

C9H9NO4S — CID 16954393

IUPAC4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C9H9NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2,(H2,10,12,13)
InChIKeyNUJKYUFXSULTMM-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.30
Rot. Bonds1

About 4-oxo-2,3-dihydrochromene-6-sulfonamide

4-oxo-2,3-dihydrochromene-6-sulfonamide (PubChem CID 16954393) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-oxo-2,3-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name4-oxo-2,3-dihydrochromene-6-sulfonamide
PubChem CID16954393
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C9H9NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2,(H2,10,12,13)
InChIKeyNUJKYUFXSULTMM-UHFFFAOYSA-N
XLogP0.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118390
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CID 24683591
Cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate
CID 7890703
Ethyl 5-sulphamoyl-o-anisate
CID 118391
2-Methoxy-5-sulfamoylbenzoic acid
CID 89601
3-Formyl-4-methoxybenzene-1-sulfonyl chloride
CID 22007190
3-(4-Fluorophenoxy)propyl 2-methoxy-5-sulfamoylbenzoate
CID 2532868
4-(4-Oxo-3-phenylchromen-2-yl)benzenesulfonamide
CID 9864504
2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)benzaldehyde
CID 9839765
5-Acetyl-2-ethoxybenzene-1-sulfonamide
CID 13921459
Methyl 5-(chlorosulfonyl)-2-ethoxybenzoate
CID 18785123

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydrochromene-6-sulfonamide?
The IUPAC name of 4-oxo-2,3-dihydrochromene-6-sulfonamide (CID 16954393) is 4-oxo-2,3-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 4-oxo-2,3-dihydrochromene-6-sulfonamide?
The canonical SMILES for 4-oxo-2,3-dihydrochromene-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 4-oxo-2,3-dihydrochromene-6-sulfonamide?
The InChIKey is NUJKYUFXSULTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2,(H2,10,12,13).
What are the key properties of 4-oxo-2,3-dihydrochromene-6-sulfonamide?
4-oxo-2,3-dihydrochromene-6-sulfonamide has a molecular weight of 227.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 16954393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).